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new file: a/arpack-ng/arpack-ng-3.8.0-intel-2022a.eb new file: c/Code_Aster/Code_Aster-14.6-Python-3.11.3-GCC-12.3.0.eb new file: d/DFTB+/DFTB+-23.1-intel-2022a.eb new file: d/dftd3-lib/dftd3-lib-0.10-GCC-11.3.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-11.3.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.2.0.eb new file: e/ELPA/ELPA-2022.05.001-intel-2022b.eb new file: e/ELSI/ELSI-2.9.1-intel-2022a.eb new file: h/HDF5/HDF5-1.10.3-foss-2022b.eb new file: h/HDF5/HDF5-1.10.3.patch new file: m/MEDCoupling/MEDCOUPLING-9.10.0-foss-2022b.eb new file: m/medfile/medfile-4.1.1-foss-2021b.eb new file: m/medfile/medfile-4.1.1-foss-2022b.eb new file: o/ORCA/ORCA-5.0.3-foss-2022a.eb new file: o/ORCA/ORCA-5.0.3-foss-2022b.eb new file: o/OVITO/OVITO-3.9.2-GCCcore-12.2.0-pro.eb new file: o/OpenMPI/OpenMPI-4.1.0-GCC-10.2.0.eb new file: p/Python/Python-3.11.3-GCCcore-12.3.0-test.eb new file: p/Python/Python-3.8.6-GCCcore-10.2.0-alpha.eb new file: p/Python/Python-3.8.6-GCCcore-9.3.0-alpha.eb new file: s/SALOME_CONFIGURATION/SALOME_CONFIGURATION-9.10.0.eb new file: t/tblite/tblite-0.3.0-intel-2022a.eb new file: t/tblite/tblite-0.3.0-intel-2022b.eb new file: x/XZ/XZ-5.4.2-GCCcore-12.3.0.eb
42 lines
1.0 KiB
Plaintext
42 lines
1.0 KiB
Plaintext
# IT4Innovations
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# LK 2023
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easyblock = 'Tarball'
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name = 'OVITO'
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version = '3.9.2'
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versionsuffix = '-pro'
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homepage = 'https://www.ovito.org/'
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description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
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toolchain = {'name': 'GCCcore', 'version': '12.2.0'}
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source_urls = ['https://www.ovito.org/download/master/']
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sources = ['ovito-pro-%(version)s-x86_64.tar.xz']
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checksums = ['ff09f2e19288dd58c3affcf7f35090446275dc65493364da0f8c5478d8306c40']
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dependencies = [
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('Qt5', '5.15.7'),
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]
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import os
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if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
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postinstallcmds = [
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'rm %(installdir)s/lib/ovito/libcrypto.so.1.1',
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'ln -s /lib64/libcrypto.so.1.1 %(installdir)s/lib/ovito/',
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]
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sanity_check_paths = {
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'files': ['bin/ovito', 'bin/ovitos', 'bin/qt.conf'],
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'dirs': ['bin', 'include', 'lib', 'share'],
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}
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#sanity_check_commands = ['ovito --nogui --noviewports --help']
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modextravars = {
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'OVITO_LICENSING_VERBOSE': '1',
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}
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moduleclass = 'vis'
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